NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3498 8.1849 122.5221 54.3716 43.8387 175.8058 2 N 5.0107 7.9856 113.2983 49.8663 42.7738 173.6375 3 R 4.4655 9.2026 117.8475 57.2241 29.0485 176.1101 4 H 5.1116 8.1174 109.3550 56.5388 30.3836 175.0566 5 F 5.2921 8.4046 116.7054 55.9484 42.0602 174.4962 6 T 4.9435 9.2165 112.9099 60.2066 73.0365 172.7411 7 V 5.0096 8.7917 113.5636 59.9450 36.2272 175.2262 8 S 5.1431 9.3051 117.2387 57.0500 67.4752 173.4994 9 V 5.0204 8.6377 122.6967 61.4596 34.3667 174.4993 10 F 4.5819 9.6718 127.3903 56.2623 40.5685 174.7318 11 I 4.9235 8.3495 125.3354 59.7549 39.4303 174.8294 12 V 5.1024 9.1538 127.5222 61.3054 34.0928 173.7108 13 C 4.7558 9.3457 128.4709 59.6915 33.7462 175.4361 14 K 3.6854 9.1268 125.7607 58.0716 32.6271 175.1458 15 D 5.1294 9.3558 109.7731 53.4411 42.7497 176.5551 16 K 5.2909 8.9310 117.7014 54.7949 37.1183 175.5669 17 V 5.2920 9.0887 121.1503 60.0983 34.5392 174.1713 18 L 4.4968 8.5634 125.2873 53.8919 43.1075 175.5348 19 L 5.0600 8.5482 124.4860 53.4329 46.5713 174.8376 20 H 5.3385 9.3979 115.6468 53.6359 31.8320 172.9522 21 L 4.2081 8.6661 122.9299 55.1328 42.0732 176.8610 22 H 3.9167 8.6620 128.1565 57.2040 29.9067 173.5724 23 K 4.0328 7.8614 121.9099 57.4888 33.7028 176.5559 24 K 3.9761 9.0874 118.0220 56.6974 29.7973 176.4022 25 A 4.5091 7.2987 115.2830 51.0161 21.0863 175.3546 26 K 4.1679 8.0580 122.7143 55.6188 32.4519 176.6929 27 K 4.4969 7.4863 130.5356 56.8790 39.6748 175.5949 *29 L 4.4456 8.5177 118.8204 53.5220 43.4429 174.2481 30 P 4.4628 0.0000 0.0000 62.0738 32.4697 175.8245 31 L 4.0199 8.1924 119.7621 54.1282 43.0525 177.5451 32 G 4.1123 8.6497 108.6103 46.0594 0.0000 171.3314 33 G 4.2393 7.3075 106.0650 45.1358 0.0000 171.4487 34 H 4.7601 8.4118 114.9046 55.8721 29.3795 174.7651 35 I 4.4007 7.7271 119.6047 59.7237 38.5977 175.6498 36 E 4.2799 9.9975 129.1452 55.5379 30.8558 176.6111 37 V 3.8112 8.2896 124.7574 63.0141 31.9905 175.2593 38 N 4.2461 8.8928 118.9810 54.2759 37.1667 172.8881 39 E 4.6802 7.8805 115.8541 53.1853 32.4420 176.1362 40 L 4.2322 8.5595 125.8576 53.8362 43.6989 176.5641 41 P 4.3545 0.0000 0.0000 65.9367 31.3054 178.8793 42 E 3.5178 7.9536 115.8554 59.2631 29.5629 178.9361 43 E 3.9359 7.9620 118.8201 58.9086 29.5134 178.9076 44 A 4.0623 8.0307 121.0656 55.1667 18.3716 179.5428 45 C 4.0295 7.6556 114.9085 62.9342 28.1464 176.2315 46 I 3.6875 7.5515 121.5521 64.4155 36.7339 178.7433 47 R 3.9306 8.1909 117.0622 59.4285 29.2248 178.6846 48 E 4.0212 8.4501 119.3305 58.9560 29.5240 179.2040 49 A 3.9877 8.1683 120.9827 54.8881 18.4129 179.6753 50 K 4.1024 7.8167 117.8717 59.7182 32.3287 179.0814 51 E 4.2909 8.8234 119.2517 59.2474 29.2355 178.6688 52 E 4.4708 8.5703 116.8079 57.4643 30.0897 177.1443 53 A 4.5562 7.4499 117.9292 50.7873 21.3934 176.0100 54 G 4.2063 8.1367 103.8469 46.6179 0.0000 173.8454 55 L 4.8044 7.6744 117.5045 52.5336 44.1667 175.9683 56 N 4.8764 8.5723 119.0229 51.9840 39.9761 174.7276 57 V 4.8052 8.1604 114.7137 59.8512 36.3413 175.2281 58 T 4.5523 8.7960 117.3508 61.6253 71.1829 173.9108 59 L 4.6827 8.5538 126.9332 54.5378 42.6192 176.6822 60 Y 4.2768 9.0981 125.8632 57.9742 39.2553 175.8692 61 N 4.5548 8.2112 125.1161 50.9844 39.5270 169.5760 62 P 4.1473 0.0000 0.0000 61.7994 31.6412 177.0813 63 I 3.9057 8.0862 124.9449 61.0026 37.9352 176.9638 64 D 4.6502 8.2196 124.7160 52.0396 39.3807 176.0967 65 I 3.6015 7.9215 124.1896 63.9807 38.2064 176.2104 66 N 4.2649 8.1673 116.3767 56.4880 38.3865 176.9373 67 L 4.2666 7.9260 122.2814 56.9103 42.2662 178.6087 68 K 3.8864 8.2658 120.0094 59.4711 32.3079 179.0089 69 K 3.9821 8.2444 119.1305 59.4911 31.8727 179.6020 70 S 4.1656 7.9421 114.0819 61.4768 62.8060 176.4221 71 C 4.0928 8.2514 120.3586 62.7890 27.9469 175.5346 72 D 4.6382 7.9209 121.7532 56.7359 40.1779 179.0146 73 L 4.0136 7.5479 117.8170 57.9685 41.8074 179.3839 74 S 4.4137 7.7467 110.7431 58.8087 62.5434 175.0828 75 G 3.8516 7.8652 109.7514 45.8131 0.0000 173.0183 76 E 4.7168 8.3934 119.5479 53.9986 32.4377 174.9894 77 K 4.5273 8.0868 117.9433 54.5622 35.3611 176.1559 78 L 4.0733 8.5633 126.2410 54.6506 42.2721 176.3593 79 L 4.4581 8.1001 126.0702 52.9620 43.3553 175.9350 80 I 3.9612 8.2324 120.9992 60.9316 38.2634 174.9483 81 N 4.6131 8.4680 126.4718 51.7092 39.8892 172.7890 82 P 3.3178 0.0000 0.0000 62.3416 32.1857 176.4011 83 I 3.7956 8.0622 120.9834 64.2351 37.4993 176.0656 84 H 5.0525 7.6827 116.3460 54.5091 33.7667 172.6719 85 T 5.1155 8.5392 115.8840 62.0952 71.3116 173.5882 86 I 4.5862 8.7587 126.9486 59.2473 41.2906 174.3360 87 L 4.6019 8.5280 127.7561 53.8612 42.8313 175.8021 88 G 4.0143 9.0594 114.3502 44.7191 0.0000 173.1799 89 D 4.8551 8.6775 118.4811 53.2858 43.3380 176.1328 90 V 4.4465 7.1076 116.2036 60.8599 34.6182 174.6327 91 S 3.5560 8.5205 114.3921 58.3261 60.3056 170.1820 92 P 4.3766 0.0000 0.0000 62.4057 32.5464 177.1412 93 N 4.7544 8.3228 117.2196 52.1515 37.9752 174.8829 94 H 4.8514 7.3062 111.3565 53.7679 31.7796 173.6060 95 S 4.4539 8.5132 116.6486 59.6554 62.6894 172.9273 96 H 4.8736 8.8756 120.4009 54.6145 32.2272 172.3169 97 I 4.3448 8.3715 121.7106 60.2605 38.9902 174.2598 98 D 5.2955 9.0636 126.5953 51.5043 43.8713 174.6745 99 F 5.0495 9.1083 126.5030 56.8997 40.4008 174.9999 100 V 4.8290 8.8626 125.3939 61.9849 32.9978 174.4014 101 Y 5.0123 9.4571 124.9881 56.4230 42.0730 174.0234 102 Y 5.7888 8.6544 118.2125 56.8692 41.7209 174.5438 103 A 5.2773 9.2975 123.5804 51.4931 23.7192 174.7084 104 T 5.2613 8.9233 108.3032 60.6784 72.3230 172.9991 105 T 5.0029 8.4204 115.9630 61.1221 70.4069 173.8030 106 T 4.0740 8.6210 115.4958 63.3212 69.5165 174.9711 107 S 4.4317 7.4335 113.7149 55.8955 66.0288 173.9456 108 F 3.9221 8.1162 119.3221 59.2751 39.0632 176.0510 109 E 4.2540 8.1834 122.2179 56.3741 29.9790 175.6075 110 T 4.9343 8.3646 114.9002 60.4454 72.2740 174.1137 111 S 4.6199 8.9537 118.0050 56.0948 63.1248 171.3275 112 P 4.4825 0.0000 0.0000 62.1733 32.4062 175.7567 113 E 4.3560 9.2623 123.0541 55.1184 31.3559 175.9576 114 I 3.6228 8.3024 120.2149 63.0961 38.0436 176.0947 115 G 3.9093 8.8473 114.3456 45.7848 0.0000 173.1732 116 E 4.3752 7.6624 118.8603 54.5740 30.7913 176.1464 117 S 4.0811 8.4320 114.9304 59.1435 62.6201 174.0724 118 K 4.3548 8.6005 124.9198 56.2191 32.5323 176.1307 119 I 4.3815 7.4244 121.3584 59.6999 38.4843 174.2196 120 L 5.2471 8.3880 126.4213 52.6733 44.5139 176.4344 121 K 4.6124 8.9133 121.7984 54.3852 36.5167 175.1106 122 W 5.2686 8.5790 122.6442 55.4812 31.0655 175.1525 123 Y 4.9162 9.4307 121.8739 56.1954 40.7162 175.9357 124 S 5.0494 8.9121 117.8858 56.9417 64.5944 175.2083 125 K 3.9832 8.5440 121.7903 59.4389 32.2360 178.0370 126 E 4.1056 7.7166 118.1092 59.5676 29.9492 178.1972 127 D 4.7411 8.0272 118.4080 53.8984 39.3167 174.9008 128 L 4.2173 7.0775 121.7943 56.2721 43.5055 176.7194 129 K 4.2772 8.2095 116.6017 57.9256 33.1488 178.0811 130 N 4.4355 7.9124 117.9215 55.5761 38.9613 175.8170 131 A 4.2987 7.6831 119.4167 52.3670 19.1999 176.2357 132 H 5.1277 8.5368 114.4969 55.3870 30.5117 173.9084 133 N 5.0835 7.9800 116.3088 52.4303 37.5130 173.7896 134 I 4.3717 7.7341 119.0366 59.7043 40.3620 176.1299 135 Q 4.1257 8.6601 124.5774 56.0745 30.5674 177.5952 136 E 3.9489 8.7595 122.8437 59.7731 29.4278 179.6386 137 N 4.4065 8.0622 114.9699 55.7988 37.4470 176.8653 138 I 4.0665 7.6552 121.3302 64.1729 37.6154 177.6658 139 L 4.1206 7.8172 119.9820 57.5819 41.2743 179.6356 140 V 3.7738 7.6412 114.4912 63.7854 31.0952 177.2212 *142 A 3.9028 7.9361 122.1292 51.9961 20.5809 180.0159 143 T 3.8628 7.5646 112.1634 66.6474 68.3350 176.9470 144 E 3.8512 8.1989 120.5141 59.1923 29.4295 179.1194 145 A 3.1670 7.1015 120.1710 54.8632 17.8670 179.5548 146 L 3.8986 7.7004 117.2736 58.1434 41.5203 179.4801 147 D 4.3929 8.1272 117.9098 57.0813 40.7357 178.5316 148 L 4.0518 7.8891 120.2607 57.5078 42.3136 178.8928 149 L 4.5354 7.8849 117.1072 54.3853 43.1403 176.2260 150 E 4.0609 7.6492 124.4674 56.7778 31.1583 173.6414 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 L 8.18 4.35 0.00 1.66 1.81 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 2 N 7.99 5.01 0.00 2.81 2.52 0.00 0.00 7.04 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.20 4.47 0.00 1.90 2.05 0.00 2.96 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 4 H 8.12 5.11 0.00 2.81 2.99 0.00 5.57 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.40 5.29 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.22 4.94 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 7 V 8.79 5.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.99 0.00 0.00 8 S 9.31 5.14 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.64 5.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 10 F 9.67 4.58 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.35 4.92 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 1.13 0.00 0.00 12 V 9.15 5.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.06 0.00 0.00 13 C 9.35 4.76 0.00 2.45 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.13 3.69 0.00 1.97 1.49 0.00 1.54 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.81 1.50 7.81 15 D 9.36 5.13 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.93 5.29 0.00 2.05 2.06 0.00 1.23 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.50 7.81 17 V 9.09 5.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.18 0.00 0.00 18 L 8.56 4.50 0.00 0.27 0.97 0.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.55 5.06 0.00 1.71 1.55 0.50 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.40 5.34 0.00 3.13 3.09 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.67 4.21 0.00 1.76 1.58 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.66 3.92 0.00 3.09 3.49 0.00 6.09 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.86 4.03 0.00 2.24 1.99 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.35 7.81 24 K 9.09 3.98 0.00 1.95 1.99 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.41 7.81 25 A 7.30 4.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.06 4.17 0.00 1.73 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.46 7.81 27 K 7.49 4.50 0.00 1.82 1.59 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.63 1.28 7.81 *29 L 8.52 4.45 0.00 1.69 1.66 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.46 0.00 1.41 0.49 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 31 L 8.19 4.02 0.00 1.51 1.65 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.65 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.41 4.76 0.00 3.24 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.73 4.40 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 1.01 0.00 0.00 36 E 10.00 4.28 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 37 V 8.29 3.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 38 N 8.89 4.25 0.00 2.85 2.93 0.00 0.00 6.75 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.88 4.68 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 40 L 8.56 4.23 0.00 1.71 1.52 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.35 0.00 2.22 2.38 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 42 E 7.95 3.52 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 43 E 7.96 3.94 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 44 A 8.03 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.66 4.03 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.55 3.69 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.90 0.00 0.00 47 R 8.19 3.93 0.00 2.01 2.17 0.00 2.72 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 48 E 8.45 4.02 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 49 A 8.17 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.82 4.10 0.00 1.99 1.95 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 51 E 8.82 4.29 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 52 E 8.57 4.47 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 53 A 7.45 4.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.14 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.67 4.80 0.00 1.71 1.64 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.57 4.88 0.00 2.72 2.76 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.16 4.81 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 58 T 8.80 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 59 L 8.55 4.68 0.00 1.57 1.72 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.10 4.28 0.00 3.01 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.21 4.55 0.00 2.59 2.57 0.00 0.00 7.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.15 0.00 2.11 1.82 0.00 3.37 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 63 I 8.09 3.91 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.90 0.00 0.00 64 D 8.22 4.65 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.92 3.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.90 0.00 0.00 66 N 8.17 4.26 0.00 2.76 2.85 0.00 0.00 6.75 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.93 4.27 0.00 1.74 1.76 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.27 3.89 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 69 K 8.24 3.98 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.68 7.81 70 S 7.94 4.17 0.00 4.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.25 4.09 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.92 4.64 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.55 4.01 0.00 1.84 1.73 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.75 4.41 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.39 4.72 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 77 K 8.09 4.53 0.00 1.65 1.64 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 78 L 8.56 4.07 0.00 1.56 1.56 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.10 4.46 0.00 1.63 1.81 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.23 3.96 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 1.00 0.00 0.00 81 N 8.47 4.61 0.00 2.65 2.60 0.00 0.00 7.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 3.32 0.00 2.14 1.40 0.00 3.57 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 83 I 8.06 3.80 1.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.35 0.00 0.00 84 H 7.68 5.05 0.00 3.00 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.54 5.12 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 86 I 8.76 4.59 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.07 0.88 0.00 0.00 87 L 8.53 4.60 0.00 1.54 1.50 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.68 4.86 0.00 2.52 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.11 4.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 91 S 8.52 3.56 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.38 0.00 1.95 1.95 0.00 3.39 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 93 N 8.32 4.75 0.00 2.74 2.84 0.00 0.00 6.75 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 7.31 4.85 0.00 3.18 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.51 4.45 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.88 4.87 0.00 3.26 3.30 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.37 4.34 1.16 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.24 0.29 0.00 0.00 98 D 9.06 5.30 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.11 5.05 0.00 3.30 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.86 4.83 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.14 0.00 0.00 101 Y 9.46 5.01 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.65 5.79 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.30 5.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.92 5.26 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 105 T 8.42 5.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 106 T 8.62 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 107 S 7.43 4.43 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.12 3.92 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.18 4.25 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 110 T 8.36 4.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 111 S 8.95 4.62 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.48 0.00 1.99 2.09 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 113 E 9.26 4.36 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 114 I 8.30 3.62 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.91 0.00 0.00 115 G 8.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.66 4.38 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 117 S 8.43 4.08 0.00 3.73 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.60 4.35 0.00 1.77 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.38 7.81 119 I 7.42 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.92 0.00 0.00 120 L 8.39 5.25 0.00 1.43 1.39 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.91 4.61 0.00 1.55 1.20 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.54 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.37 7.81 122 W 8.58 5.27 0.00 2.89 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 9.43 4.92 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.91 5.05 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.54 3.98 0.00 1.76 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.47 7.81 126 E 7.72 4.11 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 127 D 8.03 4.74 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.08 4.22 0.00 1.95 1.43 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.21 4.28 0.00 1.91 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 130 N 7.91 4.44 0.00 2.81 2.92 0.00 0.00 6.87 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.68 4.30 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.54 5.13 0.00 3.13 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.98 5.08 0.00 2.82 2.97 0.00 0.00 5.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.73 4.37 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.81 0.00 0.00 135 Q 8.66 4.13 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 136 E 8.76 3.95 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 137 N 8.06 4.41 0.00 2.87 2.95 0.00 0.00 6.05 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.66 4.07 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.05 0.00 0.00 139 L 7.82 4.12 0.00 1.89 1.67 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.64 3.77 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 *142 A 7.94 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.56 3.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 144 E 8.20 3.85 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 145 A 7.10 3.17 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.70 3.90 0.00 1.85 1.72 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.13 4.39 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.89 4.05 0.00 1.54 1.72 0.63 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.88 4.54 0.00 1.68 1.68 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.65 4.06 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.